N-Chloro-N,1,1-trifluoroethanamine
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Basic information
- CAS
16276-45-2- Standard SMILES
CC(F)(F)N(F)Cl- InChIKey
ITYSTFRAOPTVON-UHFFFAOYSA-N- Molecular formula
- C2H3ClF3N
- Average molar mass
- 133.5 g/mol
- Monoisotopic mass
- 132.9906113
Names & identifiers
- Preferred name
- N-Chloro-N,1,1-trifluoroethanamine
- IUPAC
- N-chloro-N,1,1-trifluoroethanamine
- English name
- N-Chloro-N,1,1-trifluoroethanamine
- Molecular formula
- C2H3ClF3N
- Molecular weight
- 133.5
Names & synonyms
N-Chloro-N,1,1-trifluoroethanamine16276-45-2Ethanamine, N-chloro-N,1,1-trifluoro-Ethylamine, N-chloro-N,1,1-trifluoro-DTXSID50338345ITYSTFRAOPTVON-UHFFFAOYSA-NN-Chloro-N,1,1-trifluoroethanamine #N-Chloro-N-fluoro-1,1-difluoroethylamineN-Chloro-N-(1,1-difluoroethyl)hypofluorous amide
Database identifiers
- CAS
16276-45-2- PubChem CID
- 548599
- DTXSID
DTXSID50338345- Nikkaji
- J100.504I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 58.6 · 58.6±35.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- -17.53 · -17.53±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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